2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine

C23H46N2O2 — CID 130391893

IUPAC2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine
SMILESC=C(CNC(=C)C(C)(C)CC(C)(C)OC(C)C)NC(C)(C)CC(C)(C)OC
InChIInChI=1S/C23H46N2O2/c1-17(2)27-23(11,12)15-20(5,6)19(4)24-14-18(3)25-21(7,8)16-22(9,10)26-13/h17,24-25H,3-4,14-16H2,1-2,5-13H3
InChIKeyVRWZAABGXIHHGF-UHFFFAOYSA-N
MW382.63 g/mol
LogP5.41
Rot. Bonds13

About 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine

2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine (PubChem CID 130391893) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine
PubChem CID130391893
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC Name2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine
SMILESC=C(CNC(=C)C(C)(C)CC(C)(C)OC(C)C)NC(C)(C)CC(C)(C)OC
InChIInChI=1S/C23H46N2O2/c1-17(2)27-23(11,12)15-20(5,6)19(4)24-14-18(3)25-21(7,8)16-22(9,10)26-13/h17,24-25H,3-4,14-16H2,1-2,5-13H3
InChIKeyVRWZAABGXIHHGF-UHFFFAOYSA-N
XLogP5.41
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine (CID 130391893) is 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine is C=C(CNC(=C)C(C)(C)CC(C)(C)OC(C)C)NC(C)(C)CC(C)(C)OC.
What is the InChIKey of 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine?
The InChIKey is VRWZAABGXIHHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O2/c1-17(2)27-23(11,12)15-20(5,6)19(4)24-14-18(3)25-21(7,8)16-22(9,10)26-13/h17,24-25H,3-4,14-16H2,1-2,5-13H3.
What are the key properties of 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine?
2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine has a molecular weight of 382.63 g/mol, XLogP of 5.41, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2,4-dimethylpentan-2-yl)-1-N-(3,3,5-trimethyl-5-propan-2-yloxyhex-1-en-2-yl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 130391893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).